Water at Hydrophobic Surfaces:  When Weaker Is Better

• Published in: Journal of the American Chemical Society Vol. 130; no. 6; pp. 1800 - 1801
• Main Authors: Hore, Dennis K, Walker, Dave S, Richmond, Geraldine L
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 13-02-2008
• Subjects: Air; Carbon Tetrachloride - chemistry; Chloroform - chemistry; Computer Simulation; Hydrophobic and Hydrophilic Interactions; Methylene Chloride - chemistry; Models, Chemical; Surface Properties; Water - chemistry
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja0755616

The structure of water molecules at the interface of four hydrophobic phases:  carbon tetrachloride, chloroform, dichloromethane, and air have been studied using molecular dynamics simulations. We discover that hydrophobic phases with weaker dipoles are more successful in orienting water molecules in the vicinity of the aqueous-hydrophobic interface. We create a visual layer-by-layer representation of how water molecules are structured next to these phases. Our findings contribute to an increased understanding of aqueous interfacial phenomena involving salts, ions, surfactants, biomolecules, and nanoparticle assembly.